BDBM50438126 CHEMBL2407197

SMILES: OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=YFPTVJXNOYMELX-NTAHQPDNSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50438126   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50438126 (CHEMBL2407197) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22| Show InChI InChI=1S/C27H37N3O2S/c31-16-23-12-24(32)6-8-30(23)7-5-18-1-3-22(4-2-18)28-26-29-25(17-33-26)27-13-19-9-20(14-27)11-21(10-19)15-27/h1-4,17,19-21,23-24,31-32H,5-16H2,(H,28,29)/t19?,20?,21?,23-,24+,27?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of SphK1 in human WM266-4 cells assessed as inhibition of formation of [17C]-S1P formation after 20 mins by LC-MS analysis				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (SPHK1) (Homo sapiens (Human))	BDBM50438126 (CHEMBL2407197) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22| Show InChI InChI=1S/C27H37N3O2S/c31-16-23-12-24(32)6-8-30(23)7-5-18-1-3-22(4-2-18)28-26-29-25(17-33-26)27-13-19-9-20(14-27)11-21(10-19)15-27/h1-4,17,19-21,23-24,31-32H,5-16H2,(H,28,29)/t19?,20?,21?,23-,24+,27?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Sphingosine kinase types 2 (SphK2) (Homo sapiens (Human))	BDBM50438126 (CHEMBL2407197) Show SMILES OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22| Show InChI InChI=1S/C27H37N3O2S/c31-16-23-12-24(32)6-8-30(23)7-5-18-1-3-22(4-2-18)28-26-29-25(17-33-26)27-13-19-9-20(14-27)11-21(10-19)15-27/h1-4,17,19-21,23-24,31-32H,5-16H2,(H,28,29)/t19?,20?,21?,23-,24+,27?/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair